smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1cc[n+](C/C=C/C[n+]2ccc(/C=N\O)cc2)cc1	ZINC000028872310	202178270	/nfs/dbraw/zinc/17/82/70/202178270.db2.gz	PWNXZKXWUNNAMN-ONEGZZNKSA-O	2	0	327.384	1.503	1	30		EDEFRP
NC(=O)c1ccc[n+](Cc2ccccc2C[n+]2ccc(/C=N/O)cc2)c1	ZINC000072106072	216009702	/nfs/dbraw/zinc/00/97/02/216009702.db2.gz	LRBXNYOCVWAKOI-UHFFFAOYSA-P	2	0	348.406	1.265	1	30		EDEFRP
NC(=O)c1ccc[n+](CCCCCC[n+]2ccc(/C=N/O)cc2)c1	ZINC000028572739	202172421	/nfs/dbraw/zinc/17/24/21/202172421.db2.gz	YKNQYLFQZQXRKU-UHFFFAOYSA-P	2	0	328.416	1.429	1	30		EDEFRP
NC(=[NH2+])NC(=[NH2+])SCc1cccc(I)c1	ZINC000103235958	219273294	/nfs/dbraw/zinc/27/32/94/219273294.db2.gz	VSGGSIGQKGJSKS-UHFFFAOYSA-N	2	0	334.186	1.733	1	30		EDEFRP
NC(=O)c1cc[n+](Cc2ccccc2C[n+]2ccc(/C=N/O)cc2)cc1	ZINC000072104564	216009229	/nfs/dbraw/zinc/00/92/29/216009229.db2.gz	XMRVWWIXALICQD-UHFFFAOYSA-P	2	0	348.406	1.265	1	30		EDEFRP
NC(=O)c1ccc[n+](Cc2ccc(C[n+]3cccc(/C=N/O)c3)cc2)c1	ZINC000072105014	216009394	/nfs/dbraw/zinc/00/93/94/216009394.db2.gz	ZVSFMHFTVPMOIX-SSDVNMTOSA-P	2	0	348.406	1.265	1	30		EDEFRP
Cn1c2ccccc2[n+](C)c1COc1ccc(C=NNC(N)=[NH2+])cc1	ZINC000026835190	202149385	/nfs/dbraw/zinc/14/93/85/202149385.db2.gz	XNCVYPRAGYRKSH-SRZZPIQSSA-N	2	0	337.407	1.399	1	30		EDEFRP
Cn1cc[n+](C)c1COc1ccc(C=NNC(=[NH2+])N2CCCC2)cc1	ZINC000026834104	202148699	/nfs/dbraw/zinc/14/86/99/202148699.db2.gz	MJQNCPGLOIGPLH-DEDYPNTBSA-N	2	0	341.439	1.383	1	30		EDEFRP
NC(=O)c1ccc[n+](Cc2cccc(C[n+]3ccc(/C=N/O)cc3)c2)c1	ZINC000072105991	216009707	/nfs/dbraw/zinc/00/97/07/216009707.db2.gz	ZWKBDKCKMMFYAG-UHFFFAOYSA-P	2	0	348.406	1.265	1	30		EDEFRP